/*
 * Copyright 2006-2018 The MZmine 2 Development Team
 *
 * This file is part of MZmine 2.
 *
 * MZmine 2 is free software; you can redistribute it and/or modify it under the terms of the GNU
 * General Public License as published by the Free Software Foundation; either version 2 of the
 * License, or (at your option) any later version.
 *
 * MZmine 2 is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without
 * even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
 * General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License along with MZmine 2; if not,
 * write to the Free Software Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301
 * USA
 */
package net.sf.mzmine.modules.peaklistmethods.gapfilling.peakfinder;

import java.util.ArrayList;
import java.util.Collections;
import java.util.List;

import net.sf.mzmine.modules.peaklistmethods.alignment.ransac.RTs;

import org.apache.commons.math.analysis.polynomials.PolynomialFunction;
import org.apache.commons.math.optimization.fitting.PolynomialFitter;
import org.apache.commons.math.optimization.general.GaussNewtonOptimizer;

public class RegressionInfo {

  private List<RTs> data;
  private PolynomialFunction function;

  public RegressionInfo() {
    this.data = new ArrayList<RTs>();

  }

  public void setFunction() {
    function = getPolynomialFunction();
  }

  public double predict(double RT) {
    try {
      return function.value(RT);
    } catch (Exception ex) {
      return -1;
    }
  }

  public void addData(double RT, double RT2) {
    this.data.add(new RTs(RT, RT2));
  }

  private PolynomialFunction getPolynomialFunction() {
    Collections.sort(data, new RTs());
    PolynomialFitter fitter = new PolynomialFitter(3, new GaussNewtonOptimizer(true));
    for (RTs rt : data) {
      fitter.addObservedPoint(1, rt.RT, rt.RT2);
    }
    try {
      return fitter.fit();

    } catch (Exception ex) {
      return null;
    }
  }

}
